Home > Compound List > Compound details
118-92-3 molecular structure
click picture or here to close

2-aminobenzoic acid

ChemBase ID: 3682
Molecular Formular: C7H7NO2
Molecular Mass: 137.13598
Monoisotopic Mass: 137.04767847
SMILES and InChIs

SMILES:
Nc1ccccc1C(=O)O
Canonical SMILES:
OC(=O)c1ccccc1N
InChI:
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey:
RWZYAGGXGHYGMB-UHFFFAOYSA-N

Cite this record

CBID:3682 http://www.chembase.cn/molecule-3682.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminobenzoic acid
IUPAC Traditional name
2-aminobenzoic acid
6-aminobenzoic acid
Synonyms
2-AA
Anthranilic acid
6-Aminobenzoic Acid
2-Aminobenzoic Acid
o-aminobenzoic acid
2-aminobenzoic acid
vitamin L1
Anthranilate
Anthranilic acid
2-氨基苯甲酸
邻氨基苯甲酸
CAS Number
118-92-3
EC Number
204-287-5
MDL Number
MFCD00007712
Beilstein Number
471803
Merck Index
14422
PubChem SID
24846741
24891391
46504575
160967120
46508194
24846742
PubChem CID
227
CHEBI ID
30754
CHEMBL
14173
Chemspider ID
222
DrugBank ID
DB04166
KEGG ID
C00108
Wikipedia Title
Anthranilic_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.8926735  H Acceptors
H Donor LogD (pH = 5.5) 0.60402405 
LogD (pH = 7.4) -1.1480052  Log P 1.4519027 
Molar Refractivity 38.0146 cm3 Polarizability 13.810181 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 0.78  LOG S -1.3 
Solubility (Water) 6.81e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
5.7 g/L (25 °C) in water expand Show data source
ethanol: soluble, clear to slightly hazy expand Show data source
Hot water, ethanol and ether expand Show data source
Apperance
white or yellow solid expand Show data source
Melting Point
144-147 °C expand Show data source
144-148 °C expand Show data source
144-148 °C(lit.) expand Show data source
145-147 °C expand Show data source
145-148°C expand Show data source
146–148 °C expand Show data source
Flash Point
>150 °C expand Show data source
150°C(302°F) expand Show data source
Density
1.4 g/cm3 expand Show data source
1.412 expand Show data source
Vapor Density
4.7 (vs air) expand Show data source
Fluorescence
λex 315 nm; λem 400 nm(lit.) expand Show data source
RTECS
CB2450000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36 expand Show data source
R36 R37 expand Show data source
Safety Statements
26 expand Show data source
S26 S39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
1
2
0
expand Show data source
GHS Hazard statements
H319 expand Show data source
H319-H303 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥98% expand Show data source
≥98.0% (T) expand Show data source
≥99.0% (T) expand Show data source
≥99.5% (T) expand Show data source
98+% expand Show data source
Grade
matrix substance for MALDI-MS expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
reagent grade expand Show data source
Ignition Residue
≤0.03% (as SO4) expand Show data source
Cation Traces
Ba: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤100 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤20 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤500 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Analyte suitability
glycans expand Show data source
oligonucleotides expand Show data source
abs.
absorption/337 nm ≥2000 (mol. absorption) expand Show data source
Linear Formula
2-(H2N)C6H4CO2H expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
DrugBank - DB04166 external link
Drug information: experimental
DrugBank - DB04056 external link
Drug information: experimental
Sigma Aldrich - A1506 external link
Application
用于非选择性高效荧光标记聚糖。
Sigma Aldrich - 10678 external link
Application
Fluorescently labels glycans containing a free reducing terminus.1,2,3,4
Used for non-selective, efficient fluorescent labeling of glycans.
Other Notes
Sales restrictions may apply
Protocols & Applications
Methods of glycosylated protein analysis by Mass Spectrometry
Sigma Aldrich - 10690 external link
Application
Used for non-selective, efficient fluorescent labeling of glycans.
Other Notes
Sales restrictions may apply
Sigma Aldrich - A89855 external link
Application
Used for non-selective, efficient fluorescent labeling of glycans.
Packaging
2 kg in poly bottle
25, 100, 500 g in poly bottle
Sigma Aldrich - 10680 external link
Application
Used for non-selective, efficient fluorescent labeling of glycans.
Other Notes
Sales restrictions may apply

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle